USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 ASN : amide:sc= -1.04 X(o=-0.63,f=-0.39) USER MOD Set 1.2: A 82 THR OG1 : rot 51:sc= 0.401 USER MOD Set 2.1: A 32 ASN : amide:sc= 0.142 K(o=0.085,f=-4!) USER MOD Set 2.2: A 89 GLN :FLIP amide:sc= -0.0563 F(o=-1.3,f=0.085) USER MOD Set 3.1: A 22 THR OG1 : rot 97:sc= 1.31 USER MOD Set 3.2: A 69 ASN : amide:sc= 2.01 K(o=3.3,f=-3.8!) USER MOD Single : A 23 ASN : amide:sc= -1.67! X(o=-1.7!,f=-1.9) USER MOD Single : A 27 ASN : amide:sc= 0.111 K(o=0.11,f=-2!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.037 F(o=-0.89,f=-0.037) USER MOD Single : A 33 MET CE :methyl -115:sc= -3.86! (180deg=-5.28!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -2.15! USER MOD Single : A 35 GLN :FLIP amide:sc= -3.96! C(o=-6.1!,f=-4!) USER MOD Single : A 40 SER OG : rot 93:sc= 1.29 USER MOD Single : A 43 SER OG : rot -25:sc= 0.0874 USER MOD Single : A 44 SER OG : rot -74:sc= 1.2 USER MOD Single : A 50 SER OG : rot -73:sc= 1.26 USER MOD Single : A 52 LYS NZ :NH3+ -140:sc= -0.0203 (180deg=-0.23) USER MOD Single : A 62 SER OG : rot 25:sc= -0.333 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.234 USER MOD Single : A 70 TYR OH : rot -155:sc= -1.24 USER MOD Single : A 72 THR OG1 : rot -154:sc= -0.19 USER MOD Single : A 74 LYS NZ :NH3+ -148:sc= 1.23 (180deg=0.163!) USER MOD Single : A 84 ASN : amide:sc= -3.16! C(o=-3.2!,f=-5.9!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0756) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 1:sc= 0.262 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 22 7.900 -3.192 6.208 1.00 0.00 N ATOM 302 CA THR A 22 7.004 -4.208 5.709 1.00 0.00 C ATOM 303 C THR A 22 5.601 -3.626 5.578 1.00 0.00 C ATOM 304 O THR A 22 4.756 -4.149 4.853 1.00 0.00 O ATOM 305 CB THR A 22 6.986 -5.421 6.657 1.00 0.00 C ATOM 306 OG1 THR A 22 6.605 -5.004 7.975 1.00 0.00 O ATOM 307 CG2 THR A 22 8.355 -6.075 6.721 1.00 0.00 C ATOM 0 HA THR A 22 7.352 -4.541 4.731 1.00 0.00 H new ATOM 0 HB THR A 22 6.265 -6.142 6.272 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.646 -5.160 8.103 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.319 -6.930 7.397 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.644 -6.411 5.725 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.086 -5.354 7.087 1.00 0.00 H new ATOM 315 N ASN A 23 5.378 -2.529 6.294 1.00 0.00 N ATOM 316 CA ASN A 23 4.088 -1.849 6.312 1.00 0.00 C ATOM 317 C ASN A 23 3.897 -1.046 5.039 1.00 0.00 C ATOM 318 O ASN A 23 4.715 -0.185 4.706 1.00 0.00 O ATOM 319 CB ASN A 23 4.021 -0.901 7.504 1.00 0.00 C ATOM 320 CG ASN A 23 2.621 -0.368 7.742 1.00 0.00 C ATOM 321 OD1 ASN A 23 1.632 -1.011 7.402 1.00 0.00 O ATOM 322 ND2 ASN A 23 2.528 0.805 8.347 1.00 0.00 N ATOM 0 H ASN A 23 6.087 -2.086 6.878 1.00 0.00 H new ATOM 0 HA ASN A 23 3.303 -2.601 6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.366 -1.421 8.398 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.702 -0.066 7.339 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.611 1.205 8.546 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.373 1.309 8.614 1.00 0.00 H new ATOM 329 N LEU A 24 2.817 -1.312 4.337 1.00 0.00 N ATOM 330 CA LEU A 24 2.551 -0.634 3.090 1.00 0.00 C ATOM 331 C LEU A 24 1.254 0.146 3.161 1.00 0.00 C ATOM 332 O LEU A 24 0.173 -0.422 3.322 1.00 0.00 O ATOM 333 CB LEU A 24 2.490 -1.651 1.953 1.00 0.00 C ATOM 334 CG LEU A 24 3.505 -1.453 0.831 1.00 0.00 C ATOM 335 CD1 LEU A 24 4.909 -1.282 1.384 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.462 -2.634 -0.105 1.00 0.00 C ATOM 0 H LEU A 24 2.109 -1.994 4.610 1.00 0.00 H new ATOM 0 HA LEU A 24 3.360 0.072 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.631 -2.647 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.490 -1.626 1.521 1.00 0.00 H new ATOM 0 HG LEU A 24 3.243 -0.545 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.610 -1.143 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.939 -0.410 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.187 -2.170 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.188 -2.490 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.704 -3.543 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.463 -2.723 -0.532 1.00 0.00 H new ATOM 348 N ILE A 25 1.373 1.452 3.051 1.00 0.00 N ATOM 349 CA ILE A 25 0.216 2.304 2.946 1.00 0.00 C ATOM 350 C ILE A 25 -0.267 2.274 1.505 1.00 0.00 C ATOM 351 O ILE A 25 0.524 2.420 0.570 1.00 0.00 O ATOM 352 CB ILE A 25 0.517 3.756 3.381 1.00 0.00 C ATOM 353 CG1 ILE A 25 -0.797 4.524 3.513 1.00 0.00 C ATOM 354 CG2 ILE A 25 1.482 4.441 2.419 1.00 0.00 C ATOM 355 CD1 ILE A 25 -0.637 6.009 3.735 1.00 0.00 C ATOM 0 H ILE A 25 2.266 1.945 3.032 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.556 1.931 3.620 1.00 0.00 H new ATOM 0 HB ILE A 25 1.013 3.742 4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.387 4.366 2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.366 4.105 4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.670 5.460 2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.421 3.889 2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.045 4.465 1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.620 6.473 3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.077 6.181 4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.098 6.447 2.894 1.00 0.00 H new ATOM 367 N VAL A 26 -1.541 2.027 1.316 1.00 0.00 N ATOM 368 CA VAL A 26 -2.085 1.945 -0.020 1.00 0.00 C ATOM 369 C VAL A 26 -3.181 2.977 -0.197 1.00 0.00 C ATOM 370 O VAL A 26 -4.246 2.878 0.404 1.00 0.00 O ATOM 371 CB VAL A 26 -2.635 0.548 -0.323 1.00 0.00 C ATOM 372 CG1 VAL A 26 -2.945 0.414 -1.805 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.638 -0.500 0.114 1.00 0.00 C ATOM 0 H VAL A 26 -2.218 1.880 2.065 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.275 2.145 -0.721 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.561 0.400 0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.335 -0.584 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.688 1.159 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.034 0.571 -2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.034 -1.492 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.701 -0.357 -0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.459 -0.408 1.185 1.00 0.00 H new ATOM 383 N ASN A 27 -2.899 3.975 -1.007 1.00 0.00 N ATOM 384 CA ASN A 27 -3.825 5.065 -1.231 1.00 0.00 C ATOM 385 C ASN A 27 -4.635 4.810 -2.487 1.00 0.00 C ATOM 386 O ASN A 27 -4.405 3.825 -3.189 1.00 0.00 O ATOM 387 CB ASN A 27 -3.077 6.387 -1.382 1.00 0.00 C ATOM 388 CG ASN A 27 -3.717 7.508 -0.595 1.00 0.00 C ATOM 389 OD1 ASN A 27 -4.716 8.090 -1.016 1.00 0.00 O ATOM 390 ND2 ASN A 27 -3.115 7.843 0.532 1.00 0.00 N ATOM 0 H ASN A 27 -2.025 4.054 -1.527 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.489 5.126 -0.369 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.047 6.257 -1.051 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.041 6.662 -2.436 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.476 8.614 1.094 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.289 7.331 0.841 1.00 0.00 H new ATOM 397 N TYR A 28 -5.568 5.712 -2.757 1.00 0.00 N ATOM 398 CA TYR A 28 -6.395 5.664 -3.956 1.00 0.00 C ATOM 399 C TYR A 28 -7.155 4.340 -4.064 1.00 0.00 C ATOM 400 O TYR A 28 -7.421 3.853 -5.162 1.00 0.00 O ATOM 401 CB TYR A 28 -5.538 5.886 -5.204 1.00 0.00 C ATOM 402 CG TYR A 28 -4.703 7.147 -5.164 1.00 0.00 C ATOM 403 CD1 TYR A 28 -5.247 8.384 -5.478 1.00 0.00 C ATOM 404 CD2 TYR A 28 -3.363 7.093 -4.811 1.00 0.00 C ATOM 405 CE1 TYR A 28 -4.476 9.530 -5.439 1.00 0.00 C ATOM 406 CE2 TYR A 28 -2.584 8.230 -4.767 1.00 0.00 C ATOM 407 CZ TYR A 28 -3.146 9.449 -5.082 1.00 0.00 C ATOM 408 OH TYR A 28 -2.376 10.590 -5.049 1.00 0.00 O ATOM 0 H TYR A 28 -5.774 6.503 -2.147 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.131 6.465 -3.882 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.877 5.029 -5.335 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.189 5.922 -6.077 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.288 8.452 -5.757 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.920 6.139 -4.565 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.913 10.486 -5.687 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.543 8.166 -4.488 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.463 10.361 -4.777 1.00 0.00 H new ATOM 418 N LEU A 29 -7.501 3.765 -2.919 1.00 0.00 N ATOM 419 CA LEU A 29 -8.296 2.543 -2.889 1.00 0.00 C ATOM 420 C LEU A 29 -9.717 2.842 -3.332 1.00 0.00 C ATOM 421 O LEU A 29 -10.244 3.920 -3.037 1.00 0.00 O ATOM 422 CB LEU A 29 -8.325 1.941 -1.482 1.00 0.00 C ATOM 423 CG LEU A 29 -6.982 1.454 -0.944 1.00 0.00 C ATOM 424 CD1 LEU A 29 -7.177 0.683 0.348 1.00 0.00 C ATOM 425 CD2 LEU A 29 -6.276 0.592 -1.976 1.00 0.00 C ATOM 0 H LEU A 29 -7.244 4.124 -2.000 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.837 1.825 -3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.722 2.688 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.022 1.103 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.358 2.323 -0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.210 0.343 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.643 1.330 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.819 -0.179 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.320 0.254 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.896 -0.272 -2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.104 1.175 -2.881 1.00 0.00 H new ATOM 437 N PRO A 30 -10.359 1.908 -4.056 1.00 0.00 N ATOM 438 CA PRO A 30 -11.741 2.087 -4.482 1.00 0.00 C ATOM 439 C PRO A 30 -12.650 2.390 -3.290 1.00 0.00 C ATOM 440 O PRO A 30 -12.543 1.753 -2.238 1.00 0.00 O ATOM 441 CB PRO A 30 -12.122 0.749 -5.103 1.00 0.00 C ATOM 442 CG PRO A 30 -10.836 0.089 -5.464 1.00 0.00 C ATOM 443 CD PRO A 30 -9.785 0.625 -4.531 1.00 0.00 C ATOM 0 HA PRO A 30 -11.849 2.923 -5.173 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.691 0.140 -4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.749 0.891 -5.983 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.919 -0.994 -5.369 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.573 0.299 -6.501 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.596 -0.060 -3.704 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.835 0.776 -5.043 1.00 0.00 H new ATOM 451 N GLN A 31 -13.552 3.345 -3.470 1.00 0.00 N ATOM 452 CA GLN A 31 -14.369 3.863 -2.375 1.00 0.00 C ATOM 453 C GLN A 31 -15.329 2.813 -1.815 1.00 0.00 C ATOM 454 O GLN A 31 -15.864 2.974 -0.717 1.00 0.00 O ATOM 455 CB GLN A 31 -15.157 5.084 -2.849 1.00 0.00 C ATOM 456 CG GLN A 31 -14.272 6.239 -3.288 1.00 0.00 C ATOM 457 CD GLN A 31 -13.483 6.840 -2.143 1.00 0.00 C ATOM 458 OE1 GLN A 31 -12.287 6.321 -1.910 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 -13.944 7.768 -1.475 1.00 0.00 N flip ATOM 0 H GLN A 31 -13.739 3.782 -4.372 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.690 4.145 -1.570 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.800 4.792 -3.679 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.810 5.421 -2.044 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -13.581 5.890 -4.056 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.891 7.013 -3.743 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.870 8.139 -1.688 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.399 8.165 -0.709 1.00 0.00 H new ATOM 468 N ASN A 32 -15.544 1.742 -2.565 1.00 0.00 N ATOM 469 CA ASN A 32 -16.469 0.694 -2.151 1.00 0.00 C ATOM 470 C ASN A 32 -15.735 -0.585 -1.763 1.00 0.00 C ATOM 471 O ASN A 32 -16.364 -1.589 -1.424 1.00 0.00 O ATOM 472 CB ASN A 32 -17.458 0.381 -3.277 1.00 0.00 C ATOM 473 CG ASN A 32 -16.800 -0.281 -4.481 1.00 0.00 C ATOM 474 OD1 ASN A 32 -15.627 -0.043 -4.783 1.00 0.00 O ATOM 475 ND2 ASN A 32 -17.552 -1.118 -5.176 1.00 0.00 N ATOM 0 H ASN A 32 -15.091 1.575 -3.464 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.006 1.064 -1.277 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.242 -0.272 -2.893 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.941 1.305 -3.596 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.166 -1.592 -5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.518 -1.289 -4.895 1.00 0.00 H new ATOM 482 N MET A 33 -14.411 -0.558 -1.805 1.00 0.00 N ATOM 483 CA MET A 33 -13.629 -1.767 -1.600 1.00 0.00 C ATOM 484 C MET A 33 -13.556 -2.169 -0.125 1.00 0.00 C ATOM 485 O MET A 33 -13.916 -1.391 0.756 1.00 0.00 O ATOM 486 CB MET A 33 -12.235 -1.583 -2.165 1.00 0.00 C ATOM 487 CG MET A 33 -11.524 -2.895 -2.348 1.00 0.00 C ATOM 488 SD MET A 33 -10.058 -2.761 -3.360 1.00 0.00 S ATOM 489 CE MET A 33 -8.977 -2.011 -2.169 1.00 0.00 C ATOM 0 H MET A 33 -13.859 0.282 -1.978 1.00 0.00 H new ATOM 0 HA MET A 33 -14.133 -2.576 -2.128 1.00 0.00 H new ATOM 0 HB2 MET A 33 -12.297 -1.068 -3.123 1.00 0.00 H new ATOM 0 HB3 MET A 33 -11.654 -0.946 -1.498 1.00 0.00 H new ATOM 0 HG2 MET A 33 -11.249 -3.292 -1.371 1.00 0.00 H new ATOM 0 HG3 MET A 33 -12.208 -3.612 -2.802 1.00 0.00 H new ATOM 0 HE1 MET A 33 -8.708 -1.008 -2.502 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.483 -1.950 -1.206 1.00 0.00 H new ATOM 0 HE3 MET A 33 -8.074 -2.613 -2.067 1.00 0.00 H new ATOM 499 N THR A 34 -13.087 -3.392 0.126 1.00 0.00 N ATOM 500 CA THR A 34 -13.005 -3.942 1.472 1.00 0.00 C ATOM 501 C THR A 34 -11.553 -4.195 1.863 1.00 0.00 C ATOM 502 O THR A 34 -10.664 -4.135 1.008 1.00 0.00 O ATOM 503 CB THR A 34 -13.773 -5.279 1.574 1.00 0.00 C ATOM 504 OG1 THR A 34 -13.039 -6.318 0.912 1.00 0.00 O ATOM 505 CG2 THR A 34 -15.142 -5.162 0.933 1.00 0.00 C ATOM 0 H THR A 34 -12.754 -4.026 -0.601 1.00 0.00 H new ATOM 0 HA THR A 34 -13.451 -3.211 2.146 1.00 0.00 H new ATOM 0 HB THR A 34 -13.891 -5.521 2.630 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.531 -7.162 0.983 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.665 -6.115 1.016 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.716 -4.387 1.440 1.00 0.00 H new ATOM 0 HG23 THR A 34 -15.030 -4.900 -0.119 1.00 0.00 H new ATOM 513 N GLN A 35 -11.311 -4.469 3.144 1.00 0.00 N ATOM 514 CA GLN A 35 -9.990 -4.906 3.586 1.00 0.00 C ATOM 515 C GLN A 35 -9.571 -6.129 2.811 1.00 0.00 C ATOM 516 O GLN A 35 -8.467 -6.198 2.309 1.00 0.00 O ATOM 517 CB GLN A 35 -9.959 -5.278 5.070 1.00 0.00 C ATOM 518 CG GLN A 35 -10.275 -4.144 6.024 1.00 0.00 C ATOM 519 CD GLN A 35 -11.744 -3.756 6.045 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.625 -4.710 5.783 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -12.086 -2.603 6.295 1.00 0.00 N flip ATOM 0 H GLN A 35 -12.006 -4.397 3.887 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.316 -4.067 3.416 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.671 -6.085 5.241 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.970 -5.669 5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.970 -4.431 7.030 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.682 -3.272 5.748 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.381 -1.893 6.492 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.075 -2.355 6.305 1.00 0.00 H new ATOM 530 N ASP A 36 -10.487 -7.076 2.705 1.00 0.00 N ATOM 531 CA ASP A 36 -10.205 -8.373 2.103 1.00 0.00 C ATOM 532 C ASP A 36 -9.758 -8.226 0.654 1.00 0.00 C ATOM 533 O ASP A 36 -8.938 -8.998 0.180 1.00 0.00 O ATOM 534 CB ASP A 36 -11.451 -9.255 2.188 1.00 0.00 C ATOM 535 CG ASP A 36 -11.206 -10.669 1.696 1.00 0.00 C ATOM 536 OD1 ASP A 36 -11.572 -10.969 0.542 1.00 0.00 O ATOM 537 OD2 ASP A 36 -10.658 -11.488 2.464 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.447 -6.970 3.033 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.389 -8.840 2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.796 -9.290 3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.250 -8.804 1.600 1.00 0.00 H new ATOM 542 N GLU A 37 -10.276 -7.223 -0.043 1.00 0.00 N ATOM 543 CA GLU A 37 -9.864 -6.973 -1.418 1.00 0.00 C ATOM 544 C GLU A 37 -8.475 -6.350 -1.428 1.00 0.00 C ATOM 545 O GLU A 37 -7.589 -6.784 -2.164 1.00 0.00 O ATOM 546 CB GLU A 37 -10.857 -6.041 -2.112 1.00 0.00 C ATOM 547 CG GLU A 37 -12.302 -6.519 -2.059 1.00 0.00 C ATOM 548 CD GLU A 37 -12.544 -7.745 -2.916 1.00 0.00 C ATOM 549 OE1 GLU A 37 -12.845 -8.816 -2.355 1.00 0.00 O ATOM 550 OE2 GLU A 37 -12.418 -7.649 -4.153 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.976 -6.574 0.317 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.842 -7.920 -1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.795 -5.055 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.562 -5.926 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.568 -6.744 -1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.959 -5.714 -2.389 1.00 0.00 H new ATOM 557 N LEU A 38 -8.298 -5.344 -0.575 1.00 0.00 N ATOM 558 CA LEU A 38 -7.011 -4.688 -0.385 1.00 0.00 C ATOM 559 C LEU A 38 -5.972 -5.722 0.067 1.00 0.00 C ATOM 560 O LEU A 38 -4.819 -5.701 -0.348 1.00 0.00 O ATOM 561 CB LEU A 38 -7.202 -3.548 0.653 1.00 0.00 C ATOM 562 CG LEU A 38 -5.967 -2.725 1.032 1.00 0.00 C ATOM 563 CD1 LEU A 38 -5.216 -3.369 2.180 1.00 0.00 C ATOM 564 CD2 LEU A 38 -5.063 -2.543 -0.173 1.00 0.00 C ATOM 0 H LEU A 38 -9.046 -4.962 0.004 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.644 -4.252 -1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.957 -2.864 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.607 -3.987 1.565 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.300 -1.741 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.344 -2.764 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.870 -3.438 3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.893 -4.369 1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.190 -1.956 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.741 -3.519 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.608 -2.023 -0.961 1.00 0.00 H new ATOM 576 N ARG A 39 -6.423 -6.650 0.882 1.00 0.00 N ATOM 577 CA ARG A 39 -5.579 -7.682 1.452 1.00 0.00 C ATOM 578 C ARG A 39 -5.271 -8.772 0.415 1.00 0.00 C ATOM 579 O ARG A 39 -4.129 -9.210 0.298 1.00 0.00 O ATOM 580 CB ARG A 39 -6.293 -8.257 2.689 1.00 0.00 C ATOM 581 CG ARG A 39 -5.409 -9.013 3.669 1.00 0.00 C ATOM 582 CD ARG A 39 -4.975 -10.348 3.116 1.00 0.00 C ATOM 583 NE ARG A 39 -4.169 -11.106 4.069 1.00 0.00 N ATOM 584 CZ ARG A 39 -3.735 -12.346 3.852 1.00 0.00 C ATOM 585 NH1 ARG A 39 -4.091 -12.997 2.750 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -2.957 -12.940 4.745 1.00 0.00 N ATOM 0 H ARG A 39 -7.399 -6.712 1.173 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.620 -7.260 1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.775 -7.437 3.221 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.084 -8.926 2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.530 -8.413 3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.949 -9.165 4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.856 -10.930 2.844 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.402 -10.191 2.202 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.924 -10.659 4.953 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.699 -12.547 2.066 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.756 -13.947 2.588 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.691 -12.447 5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.624 -13.890 4.580 1.00 0.00 H new ATOM 600 N SER A 40 -6.280 -9.193 -0.351 1.00 0.00 N ATOM 601 CA SER A 40 -6.103 -10.275 -1.322 1.00 0.00 C ATOM 602 C SER A 40 -5.233 -9.842 -2.501 1.00 0.00 C ATOM 603 O SER A 40 -4.421 -10.620 -2.999 1.00 0.00 O ATOM 604 CB SER A 40 -7.458 -10.773 -1.830 1.00 0.00 C ATOM 605 OG SER A 40 -8.232 -11.316 -0.771 1.00 0.00 O ATOM 0 H SER A 40 -7.222 -8.804 -0.318 1.00 0.00 H new ATOM 0 HA SER A 40 -5.593 -11.089 -0.807 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.000 -9.950 -2.296 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.306 -11.530 -2.599 1.00 0.00 H new ATOM 0 HG SER A 40 -8.806 -10.617 -0.393 1.00 0.00 H new ATOM 611 N LEU A 41 -5.401 -8.604 -2.944 1.00 0.00 N ATOM 612 CA LEU A 41 -4.606 -8.057 -4.031 1.00 0.00 C ATOM 613 C LEU A 41 -3.143 -7.988 -3.629 1.00 0.00 C ATOM 614 O LEU A 41 -2.261 -8.230 -4.441 1.00 0.00 O ATOM 615 CB LEU A 41 -5.166 -6.683 -4.397 1.00 0.00 C ATOM 616 CG LEU A 41 -4.665 -6.048 -5.694 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.569 -5.041 -5.408 1.00 0.00 C ATOM 618 CD2 LEU A 41 -4.177 -7.105 -6.679 1.00 0.00 C ATOM 0 H LEU A 41 -6.089 -7.955 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.663 -8.702 -4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.251 -6.766 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.944 -5.999 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.505 -5.527 -6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.226 -4.601 -6.344 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.956 -4.256 -4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.735 -5.541 -4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.828 -6.620 -7.590 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.358 -7.669 -6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.996 -7.783 -6.920 1.00 0.00 H new ATOM 630 N PHE A 42 -2.884 -7.692 -2.379 1.00 0.00 N ATOM 631 CA PHE A 42 -1.523 -7.685 -1.886 1.00 0.00 C ATOM 632 C PHE A 42 -1.062 -9.091 -1.558 1.00 0.00 C ATOM 633 O PHE A 42 0.131 -9.380 -1.561 1.00 0.00 O ATOM 634 CB PHE A 42 -1.395 -6.737 -0.703 1.00 0.00 C ATOM 635 CG PHE A 42 -1.351 -5.312 -1.160 1.00 0.00 C ATOM 636 CD1 PHE A 42 -0.184 -4.575 -1.064 1.00 0.00 C ATOM 637 CD2 PHE A 42 -2.470 -4.722 -1.731 1.00 0.00 C ATOM 638 CE1 PHE A 42 -0.136 -3.280 -1.529 1.00 0.00 C ATOM 639 CE2 PHE A 42 -2.424 -3.429 -2.189 1.00 0.00 C ATOM 640 CZ PHE A 42 -1.256 -2.712 -2.090 1.00 0.00 C ATOM 0 H PHE A 42 -3.592 -7.453 -1.685 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.862 -7.314 -2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.237 -6.880 -0.025 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.491 -6.971 -0.141 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.695 -5.019 -0.621 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.387 -5.286 -1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.779 -2.711 -1.453 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.302 -2.977 -2.625 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.217 -1.696 -2.455 1.00 0.00 H new ATOM 650 N SER A 43 -2.016 -9.974 -1.319 1.00 0.00 N ATOM 651 CA SER A 43 -1.718 -11.381 -1.147 1.00 0.00 C ATOM 652 C SER A 43 -1.317 -11.987 -2.494 1.00 0.00 C ATOM 653 O SER A 43 -0.813 -13.109 -2.560 1.00 0.00 O ATOM 654 CB SER A 43 -2.929 -12.116 -0.567 1.00 0.00 C ATOM 655 OG SER A 43 -2.621 -13.465 -0.262 1.00 0.00 O ATOM 0 H SER A 43 -3.005 -9.738 -1.240 1.00 0.00 H new ATOM 0 HA SER A 43 -0.889 -11.488 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.268 -11.606 0.335 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.752 -12.082 -1.280 1.00 0.00 H new ATOM 0 HG SER A 43 -1.880 -13.767 -0.828 1.00 0.00 H new ATOM 661 N SER A 44 -1.550 -11.234 -3.572 1.00 0.00 N ATOM 662 CA SER A 44 -1.162 -11.669 -4.904 1.00 0.00 C ATOM 663 C SER A 44 0.352 -11.558 -5.055 1.00 0.00 C ATOM 664 O SER A 44 0.995 -12.390 -5.700 1.00 0.00 O ATOM 665 CB SER A 44 -1.879 -10.834 -5.978 1.00 0.00 C ATOM 666 OG SER A 44 -1.173 -9.640 -6.272 1.00 0.00 O ATOM 0 H SER A 44 -2.005 -10.322 -3.542 1.00 0.00 H new ATOM 0 HA SER A 44 -1.457 -12.710 -5.039 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.987 -11.426 -6.887 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.884 -10.588 -5.636 1.00 0.00 H new ATOM 0 HG SER A 44 -1.293 -9.000 -5.540 1.00 0.00 H new ATOM 672 N ILE A 45 0.912 -10.518 -4.446 1.00 0.00 N ATOM 673 CA ILE A 45 2.362 -10.349 -4.382 1.00 0.00 C ATOM 674 C ILE A 45 2.988 -11.439 -3.523 1.00 0.00 C ATOM 675 O ILE A 45 3.973 -12.066 -3.909 1.00 0.00 O ATOM 676 CB ILE A 45 2.732 -8.963 -3.807 1.00 0.00 C ATOM 677 CG1 ILE A 45 2.473 -7.882 -4.847 1.00 0.00 C ATOM 678 CG2 ILE A 45 4.185 -8.914 -3.343 1.00 0.00 C ATOM 679 CD1 ILE A 45 3.566 -7.764 -5.878 1.00 0.00 C ATOM 0 H ILE A 45 0.383 -9.776 -3.988 1.00 0.00 H new ATOM 0 HA ILE A 45 2.751 -10.423 -5.398 1.00 0.00 H new ATOM 0 HB ILE A 45 2.102 -8.784 -2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.530 -8.093 -5.351 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.356 -6.923 -4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.407 -7.924 -2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.344 -9.661 -2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.843 -9.122 -4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.314 -6.975 -6.586 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.507 -7.522 -5.384 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.668 -8.710 -6.410 1.00 0.00 H new ATOM 691 N GLY A 46 2.377 -11.680 -2.379 1.00 0.00 N ATOM 692 CA GLY A 46 2.924 -12.614 -1.425 1.00 0.00 C ATOM 693 C GLY A 46 2.151 -12.584 -0.133 1.00 0.00 C ATOM 694 O GLY A 46 1.058 -12.020 -0.080 1.00 0.00 O ATOM 0 H GLY A 46 1.503 -11.240 -2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.901 -13.621 -1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.969 -12.372 -1.233 1.00 0.00 H new ATOM 698 N GLU A 47 2.699 -13.193 0.905 1.00 0.00 N ATOM 699 CA GLU A 47 2.039 -13.235 2.184 1.00 0.00 C ATOM 700 C GLU A 47 1.889 -11.869 2.811 1.00 0.00 C ATOM 701 O GLU A 47 2.807 -11.052 2.823 1.00 0.00 O ATOM 702 CB GLU A 47 2.786 -14.145 3.122 1.00 0.00 C ATOM 703 CG GLU A 47 2.730 -15.589 2.707 1.00 0.00 C ATOM 704 CD GLU A 47 3.685 -15.945 1.586 1.00 0.00 C ATOM 705 OE1 GLU A 47 3.240 -16.021 0.422 1.00 0.00 O ATOM 706 OE2 GLU A 47 4.881 -16.168 1.867 1.00 0.00 O1- ATOM 0 H GLU A 47 3.603 -13.665 0.879 1.00 0.00 H new ATOM 0 HA GLU A 47 1.035 -13.621 2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.827 -13.828 3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.371 -14.044 4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.952 -16.214 3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.713 -15.827 2.394 1.00 0.00 H new ATOM 713 N VAL A 48 0.727 -11.675 3.386 1.00 0.00 N ATOM 714 CA VAL A 48 0.366 -10.408 3.992 1.00 0.00 C ATOM 715 C VAL A 48 0.126 -10.597 5.465 1.00 0.00 C ATOM 716 O VAL A 48 -0.745 -11.354 5.893 1.00 0.00 O ATOM 717 CB VAL A 48 -0.868 -9.764 3.316 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.339 -8.540 4.090 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.545 -9.396 1.877 1.00 0.00 C ATOM 0 H VAL A 48 0.001 -12.389 3.449 1.00 0.00 H new ATOM 0 HA VAL A 48 1.200 -9.721 3.846 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.679 -10.493 3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.207 -8.107 3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.610 -8.833 5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.537 -7.803 4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.421 -8.944 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.282 -8.686 1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.264 -10.294 1.326 1.00 0.00 H new ATOM 729 N GLU A 49 0.944 -9.897 6.220 1.00 0.00 N ATOM 730 CA GLU A 49 0.967 -9.992 7.648 1.00 0.00 C ATOM 731 C GLU A 49 -0.349 -9.497 8.237 1.00 0.00 C ATOM 732 O GLU A 49 -0.942 -10.149 9.098 1.00 0.00 O ATOM 733 CB GLU A 49 2.141 -9.192 8.147 1.00 0.00 C ATOM 734 CG GLU A 49 2.502 -9.492 9.580 1.00 0.00 C ATOM 735 CD GLU A 49 1.669 -8.737 10.593 1.00 0.00 C ATOM 736 OE1 GLU A 49 1.288 -9.338 11.617 1.00 0.00 O ATOM 737 OE2 GLU A 49 1.377 -7.547 10.365 1.00 0.00 O1- ATOM 0 H GLU A 49 1.622 -9.235 5.843 1.00 0.00 H new ATOM 0 HA GLU A 49 1.079 -11.030 7.963 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.004 -9.393 7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.915 -8.130 8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.389 -10.562 9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.553 -9.252 9.737 1.00 0.00 H new ATOM 744 N SER A 50 -0.799 -8.340 7.756 1.00 0.00 N ATOM 745 CA SER A 50 -2.091 -7.788 8.155 1.00 0.00 C ATOM 746 C SER A 50 -2.451 -6.586 7.285 1.00 0.00 C ATOM 747 O SER A 50 -1.647 -5.672 7.114 1.00 0.00 O ATOM 748 CB SER A 50 -2.078 -7.395 9.641 1.00 0.00 C ATOM 749 OG SER A 50 -1.022 -6.496 9.938 1.00 0.00 O ATOM 0 H SER A 50 -0.286 -7.765 7.087 1.00 0.00 H new ATOM 0 HA SER A 50 -2.851 -8.557 8.012 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.031 -6.936 9.904 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.976 -8.291 10.253 1.00 0.00 H new ATOM 0 HG SER A 50 -0.168 -6.976 9.918 1.00 0.00 H new ATOM 755 N ALA A 51 -3.658 -6.586 6.733 1.00 0.00 N ATOM 756 CA ALA A 51 -4.086 -5.502 5.861 1.00 0.00 C ATOM 757 C ALA A 51 -5.357 -4.845 6.369 1.00 0.00 C ATOM 758 O ALA A 51 -6.309 -5.526 6.753 1.00 0.00 O ATOM 759 CB ALA A 51 -4.278 -5.997 4.435 1.00 0.00 C ATOM 0 H ALA A 51 -4.353 -7.320 6.873 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.297 -4.750 5.865 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.598 -5.169 3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.337 -6.398 4.059 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.037 -6.779 4.420 1.00 0.00 H new ATOM 765 N LYS A 52 -5.363 -3.521 6.381 1.00 0.00 N ATOM 766 CA LYS A 52 -6.528 -2.774 6.800 1.00 0.00 C ATOM 767 C LYS A 52 -7.027 -1.848 5.706 1.00 0.00 C ATOM 768 O LYS A 52 -6.272 -1.413 4.840 1.00 0.00 O ATOM 769 CB LYS A 52 -6.275 -1.967 8.078 1.00 0.00 C ATOM 770 CG LYS A 52 -4.957 -1.239 8.178 1.00 0.00 C ATOM 771 CD LYS A 52 -4.885 -0.508 9.515 1.00 0.00 C ATOM 772 CE LYS A 52 -3.499 0.030 9.826 1.00 0.00 C ATOM 773 NZ LYS A 52 -2.500 -1.055 9.996 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.569 -2.944 6.103 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.297 -3.517 7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.075 -1.234 8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.353 -2.645 8.928 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.131 -1.945 8.092 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.857 -0.529 7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.596 0.318 9.509 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.192 -1.187 10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.180 0.692 9.022 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.540 0.630 10.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.862 -0.820 10.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.990 -1.949 10.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.947 -1.158 9.121 1.00 0.00 H new ATOM 787 N LEU A 53 -8.310 -1.560 5.779 1.00 0.00 N ATOM 788 CA LEU A 53 -8.976 -0.653 4.868 1.00 0.00 C ATOM 789 C LEU A 53 -9.604 0.452 5.689 1.00 0.00 C ATOM 790 O LEU A 53 -10.177 0.192 6.744 1.00 0.00 O ATOM 791 CB LEU A 53 -10.054 -1.392 4.083 1.00 0.00 C ATOM 792 CG LEU A 53 -10.955 -0.516 3.223 1.00 0.00 C ATOM 793 CD1 LEU A 53 -10.563 -0.621 1.761 1.00 0.00 C ATOM 794 CD2 LEU A 53 -12.408 -0.904 3.423 1.00 0.00 C ATOM 0 H LEU A 53 -8.930 -1.957 6.485 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.260 -0.241 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.571 -2.128 3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.677 -1.944 4.787 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.831 0.522 3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.218 0.012 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.530 -0.295 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.658 -1.656 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.042 -0.271 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.548 -1.947 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.679 -0.773 4.471 1.00 0.00 H new ATOM 806 N ILE A 54 -9.494 1.674 5.227 1.00 0.00 N ATOM 807 CA ILE A 54 -9.969 2.798 6.008 1.00 0.00 C ATOM 808 C ILE A 54 -11.269 3.332 5.443 1.00 0.00 C ATOM 809 O ILE A 54 -11.339 3.703 4.270 1.00 0.00 O ATOM 810 CB ILE A 54 -8.942 3.937 6.039 1.00 0.00 C ATOM 811 CG1 ILE A 54 -7.567 3.421 6.482 1.00 0.00 C ATOM 812 CG2 ILE A 54 -9.418 5.058 6.953 1.00 0.00 C ATOM 813 CD1 ILE A 54 -7.566 2.716 7.824 1.00 0.00 C ATOM 0 H ILE A 54 -9.085 1.918 4.325 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.127 2.435 7.023 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.842 4.335 5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.188 2.735 5.724 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.874 4.261 6.526 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.678 5.858 6.964 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.368 5.447 6.587 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.550 4.672 7.964 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.555 2.384 8.060 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.911 3.403 8.596 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.231 1.853 7.782 1.00 0.00 H new ATOM 934 N SER A 62 -15.108 3.728 2.179 1.00 0.00 N ATOM 935 CA SER A 62 -13.661 3.725 2.179 1.00 0.00 C ATOM 936 C SER A 62 -13.139 5.100 1.786 1.00 0.00 C ATOM 937 O SER A 62 -13.610 5.698 0.821 1.00 0.00 O ATOM 938 CB SER A 62 -13.154 2.650 1.220 1.00 0.00 C ATOM 939 OG SER A 62 -13.828 1.425 1.453 1.00 0.00 O ATOM 0 HA SER A 62 -13.294 3.498 3.180 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.311 2.969 0.190 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.081 2.513 1.351 1.00 0.00 H new ATOM 0 HG SER A 62 -14.699 1.604 1.864 1.00 0.00 H new ATOM 945 N LEU A 63 -12.175 5.597 2.543 1.00 0.00 N ATOM 946 CA LEU A 63 -11.679 6.954 2.357 1.00 0.00 C ATOM 947 C LEU A 63 -10.549 6.984 1.339 1.00 0.00 C ATOM 948 O LEU A 63 -9.815 7.966 1.228 1.00 0.00 O ATOM 949 CB LEU A 63 -11.214 7.535 3.693 1.00 0.00 C ATOM 950 CG LEU A 63 -12.301 7.639 4.764 1.00 0.00 C ATOM 951 CD1 LEU A 63 -11.741 8.241 6.041 1.00 0.00 C ATOM 952 CD2 LEU A 63 -13.479 8.459 4.258 1.00 0.00 C ATOM 0 H LEU A 63 -11.718 5.081 3.295 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.494 7.568 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.403 6.917 4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.802 8.529 3.517 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.655 6.633 4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.531 8.306 6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.935 7.611 6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.355 9.239 5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.240 8.520 5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.140 9.463 4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.901 7.982 3.374 1.00 0.00 H new ATOM 964 N GLY A 64 -10.416 5.895 0.603 1.00 0.00 N ATOM 965 CA GLY A 64 -9.455 5.842 -0.470 1.00 0.00 C ATOM 966 C GLY A 64 -8.050 5.549 0.002 1.00 0.00 C ATOM 967 O GLY A 64 -7.091 5.999 -0.611 1.00 0.00 O ATOM 0 H GLY A 64 -10.961 5.042 0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.759 5.076 -1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.461 6.793 -1.002 1.00 0.00 H new ATOM 971 N TYR A 65 -7.920 4.807 1.094 1.00 0.00 N ATOM 972 CA TYR A 65 -6.607 4.366 1.547 1.00 0.00 C ATOM 973 C TYR A 65 -6.717 3.267 2.601 1.00 0.00 C ATOM 974 O TYR A 65 -7.780 3.057 3.190 1.00 0.00 O ATOM 975 CB TYR A 65 -5.763 5.543 2.073 1.00 0.00 C ATOM 976 CG TYR A 65 -6.201 6.126 3.389 1.00 0.00 C ATOM 977 CD1 TYR A 65 -7.331 6.923 3.484 1.00 0.00 C ATOM 978 CD2 TYR A 65 -5.455 5.902 4.534 1.00 0.00 C ATOM 979 CE1 TYR A 65 -7.707 7.481 4.688 1.00 0.00 C ATOM 980 CE2 TYR A 65 -5.825 6.449 5.742 1.00 0.00 C ATOM 981 CZ TYR A 65 -6.953 7.241 5.818 1.00 0.00 C ATOM 982 OH TYR A 65 -7.326 7.793 7.024 1.00 0.00 O ATOM 0 H TYR A 65 -8.699 4.500 1.677 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.095 3.949 0.680 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.730 5.210 2.171 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.773 6.336 1.325 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.926 7.110 2.602 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.568 5.288 4.478 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.588 8.103 4.746 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.235 6.259 6.627 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.688 7.524 7.718 1.00 0.00 H new ATOM 992 N GLY A 66 -5.614 2.561 2.802 1.00 0.00 N ATOM 993 CA GLY A 66 -5.554 1.475 3.760 1.00 0.00 C ATOM 994 C GLY A 66 -4.120 1.087 4.044 1.00 0.00 C ATOM 995 O GLY A 66 -3.200 1.701 3.503 1.00 0.00 O ATOM 0 H GLY A 66 -4.739 2.727 2.305 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.045 1.774 4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.099 0.613 3.374 1.00 0.00 H new ATOM 999 N PHE A 67 -3.912 0.077 4.883 1.00 0.00 N ATOM 1000 CA PHE A 67 -2.558 -0.290 5.296 1.00 0.00 C ATOM 1001 C PHE A 67 -2.366 -1.799 5.289 1.00 0.00 C ATOM 1002 O PHE A 67 -2.980 -2.506 6.081 1.00 0.00 O ATOM 1003 CB PHE A 67 -2.276 0.230 6.704 1.00 0.00 C ATOM 1004 CG PHE A 67 -2.475 1.710 6.870 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -3.709 2.217 7.249 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -1.433 2.593 6.648 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -3.897 3.575 7.404 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -1.614 3.953 6.802 1.00 0.00 C ATOM 1009 CZ PHE A 67 -2.848 4.445 7.179 1.00 0.00 C ATOM 0 H PHE A 67 -4.652 -0.497 5.287 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.867 0.160 4.583 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.924 -0.293 7.408 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.249 -0.019 6.971 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.533 1.541 7.425 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.466 2.214 6.351 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.863 3.957 7.701 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.792 4.631 6.628 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.993 5.509 7.298 1.00 0.00 H new ATOM 1019 N VAL A 68 -1.516 -2.294 4.411 1.00 0.00 N ATOM 1020 CA VAL A 68 -1.200 -3.706 4.386 1.00 0.00 C ATOM 1021 C VAL A 68 0.259 -3.951 4.746 1.00 0.00 C ATOM 1022 O VAL A 68 1.182 -3.571 4.029 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.587 -4.359 3.035 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.779 -3.304 1.976 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.583 -5.415 2.575 1.00 0.00 C ATOM 0 H VAL A 68 -1.032 -1.738 3.706 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.806 -4.192 5.150 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.531 -4.880 3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.050 -3.780 1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.574 -2.623 2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.852 -2.745 1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.908 -5.836 1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.398 -4.955 2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.521 -6.208 3.321 1.00 0.00 H new ATOM 1035 N ASN A 69 0.442 -4.537 5.912 1.00 0.00 N ATOM 1036 CA ASN A 69 1.744 -4.958 6.380 1.00 0.00 C ATOM 1037 C ASN A 69 2.083 -6.299 5.770 1.00 0.00 C ATOM 1038 O ASN A 69 1.288 -7.234 5.842 1.00 0.00 O ATOM 1039 CB ASN A 69 1.734 -5.095 7.898 1.00 0.00 C ATOM 1040 CG ASN A 69 3.128 -5.154 8.486 1.00 0.00 C ATOM 1041 OD1 ASN A 69 4.041 -4.486 8.019 1.00 0.00 O ATOM 1042 ND2 ASN A 69 3.308 -5.975 9.499 1.00 0.00 N ATOM 0 H ASN A 69 -0.316 -4.735 6.565 1.00 0.00 H new ATOM 0 HA ASN A 69 2.485 -4.214 6.088 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.196 -4.252 8.332 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.189 -5.997 8.174 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.232 -6.070 9.921 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.524 -6.516 9.862 1.00 0.00 H new ATOM 1049 N TYR A 70 3.234 -6.390 5.145 1.00 0.00 N ATOM 1050 CA TYR A 70 3.702 -7.651 4.621 1.00 0.00 C ATOM 1051 C TYR A 70 4.528 -8.387 5.660 1.00 0.00 C ATOM 1052 O TYR A 70 4.958 -7.811 6.660 1.00 0.00 O ATOM 1053 CB TYR A 70 4.544 -7.431 3.364 1.00 0.00 C ATOM 1054 CG TYR A 70 3.762 -7.343 2.078 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.522 -6.127 1.454 1.00 0.00 C ATOM 1056 CD2 TYR A 70 3.279 -8.493 1.476 1.00 0.00 C ATOM 1057 CE1 TYR A 70 2.822 -6.067 0.267 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.578 -8.442 0.294 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.353 -7.227 -0.308 1.00 0.00 C ATOM 1060 OH TYR A 70 1.663 -7.175 -1.495 1.00 0.00 O ATOM 0 H TYR A 70 3.864 -5.604 4.987 1.00 0.00 H new ATOM 0 HA TYR A 70 2.830 -8.253 4.366 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.118 -6.512 3.486 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.262 -8.246 3.279 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.888 -5.216 1.904 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.457 -9.450 1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.643 -5.114 -0.209 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.207 -9.350 -0.158 1.00 0.00 H new ATOM 0 HH TYR A 70 1.072 -7.954 -1.564 1.00 0.00 H new ATOM 1070 N VAL A 71 4.732 -9.672 5.417 1.00 0.00 N ATOM 1071 CA VAL A 71 5.573 -10.493 6.274 1.00 0.00 C ATOM 1072 C VAL A 71 7.032 -10.303 5.879 1.00 0.00 C ATOM 1073 O VAL A 71 7.951 -10.803 6.527 1.00 0.00 O ATOM 1074 CB VAL A 71 5.196 -11.984 6.166 1.00 0.00 C ATOM 1075 CG1 VAL A 71 3.744 -12.188 6.569 1.00 0.00 C ATOM 1076 CG2 VAL A 71 5.440 -12.501 4.755 1.00 0.00 C ATOM 0 H VAL A 71 4.323 -10.172 4.627 1.00 0.00 H new ATOM 0 HA VAL A 71 5.421 -10.180 7.307 1.00 0.00 H new ATOM 0 HB VAL A 71 5.829 -12.552 6.847 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.489 -13.245 6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.602 -11.858 7.598 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.098 -11.608 5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.167 -13.555 4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.834 -11.933 4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.494 -12.386 4.502 1.00 0.00 H new ATOM 1086 N THR A 72 7.210 -9.566 4.794 1.00 0.00 N ATOM 1087 CA THR A 72 8.507 -9.285 4.217 1.00 0.00 C ATOM 1088 C THR A 72 8.594 -7.823 3.816 1.00 0.00 C ATOM 1089 O THR A 72 7.587 -7.201 3.487 1.00 0.00 O ATOM 1090 CB THR A 72 8.709 -10.108 2.941 1.00 0.00 C ATOM 1091 OG1 THR A 72 7.460 -10.209 2.255 1.00 0.00 O ATOM 1092 CG2 THR A 72 9.262 -11.488 3.223 1.00 0.00 C ATOM 0 H THR A 72 6.438 -9.139 4.282 1.00 0.00 H new ATOM 0 HA THR A 72 9.262 -9.532 4.963 1.00 0.00 H new ATOM 0 HB THR A 72 9.445 -9.596 2.321 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.451 -11.023 1.709 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.386 -12.029 2.285 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.228 -11.398 3.721 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.571 -12.032 3.867 1.00 0.00 H new ATOM 1100 N ALA A 73 9.792 -7.273 3.840 1.00 0.00 N ATOM 1101 CA ALA A 73 10.021 -5.982 3.221 1.00 0.00 C ATOM 1102 C ALA A 73 10.302 -6.212 1.740 1.00 0.00 C ATOM 1103 O ALA A 73 10.237 -5.296 0.917 1.00 0.00 O ATOM 1104 CB ALA A 73 11.162 -5.239 3.905 1.00 0.00 C ATOM 0 H ALA A 73 10.613 -7.693 4.276 1.00 0.00 H new ATOM 0 HA ALA A 73 9.138 -5.352 3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.311 -4.274 3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.916 -5.083 4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.076 -5.828 3.830 1.00 0.00 H new ATOM 1110 N LYS A 74 10.596 -7.473 1.429 1.00 0.00 N ATOM 1111 CA LYS A 74 10.793 -7.943 0.065 1.00 0.00 C ATOM 1112 C LYS A 74 9.501 -7.843 -0.743 1.00 0.00 C ATOM 1113 O LYS A 74 9.484 -7.281 -1.841 1.00 0.00 O ATOM 1114 CB LYS A 74 11.306 -9.387 0.110 1.00 0.00 C ATOM 1115 CG LYS A 74 11.233 -10.115 -1.214 1.00 0.00 C ATOM 1116 CD LYS A 74 10.170 -11.195 -1.185 1.00 0.00 C ATOM 1117 CE LYS A 74 9.704 -11.526 -2.588 1.00 0.00 C ATOM 1118 NZ LYS A 74 8.635 -12.559 -2.597 1.00 0.00 N1+ ATOM 0 H LYS A 74 10.705 -8.206 2.130 1.00 0.00 H new ATOM 0 HA LYS A 74 11.530 -7.312 -0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.341 -9.382 0.452 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.729 -9.942 0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.013 -9.405 -2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.202 -10.560 -1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.568 -12.091 -0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.323 -10.863 -0.584 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.335 -10.620 -3.069 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.551 -11.878 -3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.714 -13.133 -3.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.738 -13.172 -1.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.704 -12.096 -2.573 1.00 0.00 H new ATOM 1132 N ASP A 75 8.419 -8.382 -0.196 1.00 0.00 N ATOM 1133 CA ASP A 75 7.127 -8.348 -0.877 1.00 0.00 C ATOM 1134 C ASP A 75 6.500 -6.965 -0.776 1.00 0.00 C ATOM 1135 O ASP A 75 5.636 -6.608 -1.570 1.00 0.00 O ATOM 1136 CB ASP A 75 6.185 -9.421 -0.328 1.00 0.00 C ATOM 1137 CG ASP A 75 6.613 -10.813 -0.749 1.00 0.00 C ATOM 1138 OD1 ASP A 75 6.466 -11.150 -1.941 1.00 0.00 O ATOM 1139 OD2 ASP A 75 7.126 -11.572 0.099 1.00 0.00 O1- ATOM 0 H ASP A 75 8.408 -8.846 0.712 1.00 0.00 H new ATOM 0 HA ASP A 75 7.297 -8.566 -1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.161 -9.361 0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.171 -9.230 -0.680 1.00 0.00 H new ATOM 1144 N ALA A 76 6.961 -6.182 0.190 1.00 0.00 N ATOM 1145 CA ALA A 76 6.538 -4.792 0.309 1.00 0.00 C ATOM 1146 C ALA A 76 7.005 -4.002 -0.905 1.00 0.00 C ATOM 1147 O ALA A 76 6.202 -3.384 -1.602 1.00 0.00 O ATOM 1148 CB ALA A 76 7.076 -4.184 1.599 1.00 0.00 C ATOM 0 H ALA A 76 7.627 -6.484 0.901 1.00 0.00 H new ATOM 0 HA ALA A 76 5.449 -4.751 0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.752 -3.146 1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.696 -4.746 2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.165 -4.225 1.594 1.00 0.00 H new ATOM 1154 N GLU A 77 8.306 -4.047 -1.167 1.00 0.00 N ATOM 1155 CA GLU A 77 8.870 -3.461 -2.378 1.00 0.00 C ATOM 1156 C GLU A 77 8.189 -4.039 -3.609 1.00 0.00 C ATOM 1157 O GLU A 77 7.869 -3.310 -4.546 1.00 0.00 O ATOM 1158 CB GLU A 77 10.372 -3.742 -2.437 1.00 0.00 C ATOM 1159 CG GLU A 77 10.990 -3.489 -3.801 1.00 0.00 C ATOM 1160 CD GLU A 77 12.411 -3.992 -3.891 1.00 0.00 C ATOM 1161 OE1 GLU A 77 13.346 -3.196 -3.661 1.00 0.00 O ATOM 1162 OE2 GLU A 77 12.598 -5.188 -4.194 1.00 0.00 O1- ATOM 0 H GLU A 77 8.993 -4.485 -0.554 1.00 0.00 H new ATOM 0 HA GLU A 77 8.705 -2.384 -2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.878 -3.120 -1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.549 -4.780 -2.155 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.386 -3.976 -4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.972 -2.420 -4.013 1.00 0.00 H new ATOM 1169 N ARG A 78 7.957 -5.350 -3.590 1.00 0.00 N ATOM 1170 CA ARG A 78 7.306 -6.030 -4.688 1.00 0.00 C ATOM 1171 C ARG A 78 5.973 -5.389 -5.000 1.00 0.00 C ATOM 1172 O ARG A 78 5.664 -5.086 -6.152 1.00 0.00 O ATOM 1173 CB ARG A 78 7.085 -7.479 -4.330 1.00 0.00 C ATOM 1174 CG ARG A 78 7.478 -8.433 -5.419 1.00 0.00 C ATOM 1175 CD ARG A 78 8.873 -8.945 -5.164 1.00 0.00 C ATOM 1176 NE ARG A 78 9.882 -7.879 -5.177 1.00 0.00 N ATOM 1177 CZ ARG A 78 10.486 -7.433 -6.280 1.00 0.00 C ATOM 1178 NH1 ARG A 78 10.155 -7.921 -7.469 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 11.423 -6.496 -6.197 1.00 0.00 N ATOM 0 H ARG A 78 8.216 -5.960 -2.815 1.00 0.00 H new ATOM 0 HA ARG A 78 7.948 -5.957 -5.566 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.654 -7.713 -3.430 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.032 -7.629 -4.089 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.776 -9.266 -5.458 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.434 -7.934 -6.387 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.898 -9.451 -4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.126 -9.688 -5.920 1.00 0.00 H new ATOM 0 HE ARG A 78 10.138 -7.452 -4.287 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.436 -8.640 -7.543 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.620 -7.577 -8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.684 -6.114 -5.288 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.882 -6.158 -7.043 1.00 0.00 H new ATOM 1193 N ALA A 79 5.189 -5.174 -3.958 1.00 0.00 N ATOM 1194 CA ALA A 79 3.875 -4.603 -4.114 1.00 0.00 C ATOM 1195 C ALA A 79 3.961 -3.179 -4.634 1.00 0.00 C ATOM 1196 O ALA A 79 3.077 -2.718 -5.340 1.00 0.00 O ATOM 1197 CB ALA A 79 3.099 -4.667 -2.806 1.00 0.00 C ATOM 0 H ALA A 79 5.446 -5.389 -2.995 1.00 0.00 H new ATOM 0 HA ALA A 79 3.333 -5.193 -4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.110 -4.230 -2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.995 -5.707 -2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.635 -4.110 -2.037 1.00 0.00 H new ATOM 1203 N ILE A 80 5.029 -2.481 -4.295 1.00 0.00 N ATOM 1204 CA ILE A 80 5.202 -1.116 -4.765 1.00 0.00 C ATOM 1205 C ILE A 80 5.546 -1.043 -6.246 1.00 0.00 C ATOM 1206 O ILE A 80 5.122 -0.125 -6.944 1.00 0.00 O ATOM 1207 CB ILE A 80 6.271 -0.386 -3.970 1.00 0.00 C ATOM 1208 CG1 ILE A 80 5.974 -0.503 -2.485 1.00 0.00 C ATOM 1209 CG2 ILE A 80 6.315 1.071 -4.378 1.00 0.00 C ATOM 1210 CD1 ILE A 80 7.020 0.123 -1.614 1.00 0.00 C ATOM 0 H ILE A 80 5.783 -2.830 -3.703 1.00 0.00 H new ATOM 0 HA ILE A 80 4.239 -0.628 -4.615 1.00 0.00 H new ATOM 0 HB ILE A 80 7.241 -0.838 -4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.012 -0.035 -2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.878 -1.557 -2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.084 1.587 -3.803 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.546 1.144 -5.441 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.347 1.532 -4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.742 0.002 -0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.980 -0.361 -1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.100 1.185 -1.847 1.00 0.00 H new ATOM 1222 N ASN A 81 6.307 -1.987 -6.746 1.00 0.00 N ATOM 1223 CA ASN A 81 6.656 -1.938 -8.149 1.00 0.00 C ATOM 1224 C ASN A 81 5.594 -2.605 -8.995 1.00 0.00 C ATOM 1225 O ASN A 81 5.381 -2.244 -10.150 1.00 0.00 O ATOM 1226 CB ASN A 81 8.022 -2.554 -8.432 1.00 0.00 C ATOM 1227 CG ASN A 81 8.186 -3.991 -7.975 1.00 0.00 C ATOM 1228 OD1 ASN A 81 7.647 -4.921 -8.578 1.00 0.00 O ATOM 1229 ND2 ASN A 81 8.991 -4.182 -6.942 1.00 0.00 N ATOM 0 H ASN A 81 6.687 -2.776 -6.223 1.00 0.00 H new ATOM 0 HA ASN A 81 6.713 -0.884 -8.419 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.210 -2.506 -9.505 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.785 -1.945 -7.947 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.186 -5.128 -6.616 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.416 -3.383 -6.472 1.00 0.00 H new ATOM 1236 N THR A 82 4.936 -3.585 -8.415 1.00 0.00 N ATOM 1237 CA THR A 82 3.909 -4.316 -9.111 1.00 0.00 C ATOM 1238 C THR A 82 2.516 -3.710 -8.888 1.00 0.00 C ATOM 1239 O THR A 82 1.857 -3.268 -9.831 1.00 0.00 O ATOM 1240 CB THR A 82 3.931 -5.787 -8.667 1.00 0.00 C ATOM 1241 OG1 THR A 82 5.093 -6.441 -9.190 1.00 0.00 O ATOM 1242 CG2 THR A 82 2.672 -6.534 -9.087 1.00 0.00 C ATOM 0 H THR A 82 5.098 -3.893 -7.456 1.00 0.00 H new ATOM 0 HA THR A 82 4.118 -4.252 -10.179 1.00 0.00 H new ATOM 0 HB THR A 82 3.966 -5.799 -7.578 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.889 -5.908 -8.985 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.734 -7.569 -8.751 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.800 -6.058 -8.638 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.580 -6.510 -10.173 1.00 0.00 H new ATOM 1250 N LEU A 83 2.090 -3.668 -7.629 1.00 0.00 N ATOM 1251 CA LEU A 83 0.714 -3.316 -7.286 1.00 0.00 C ATOM 1252 C LEU A 83 0.494 -1.806 -7.185 1.00 0.00 C ATOM 1253 O LEU A 83 -0.637 -1.341 -7.265 1.00 0.00 O ATOM 1254 CB LEU A 83 0.311 -3.967 -5.968 1.00 0.00 C ATOM 1255 CG LEU A 83 0.235 -5.499 -5.960 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.275 -5.986 -4.618 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.651 -6.028 -7.074 1.00 0.00 C ATOM 0 H LEU A 83 2.682 -3.875 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 83 0.091 -3.689 -8.099 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.021 -3.656 -5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.664 -3.575 -5.677 1.00 0.00 H new ATOM 0 HG LEU A 83 1.242 -5.880 -6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.326 -7.075 -4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.402 -5.657 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.269 -5.577 -4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.677 -7.117 -7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.661 -5.636 -6.953 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.252 -5.711 -8.038 1.00 0.00 H new ATOM 1269 N ASN A 84 1.546 -1.036 -6.971 1.00 0.00 N ATOM 1270 CA ASN A 84 1.395 0.413 -6.920 1.00 0.00 C ATOM 1271 C ASN A 84 1.140 0.945 -8.320 1.00 0.00 C ATOM 1272 O ASN A 84 2.025 0.945 -9.180 1.00 0.00 O ATOM 1273 CB ASN A 84 2.623 1.051 -6.272 1.00 0.00 C ATOM 1274 CG ASN A 84 2.553 2.560 -6.176 1.00 0.00 C ATOM 1275 OD1 ASN A 84 1.480 3.150 -6.196 1.00 0.00 O ATOM 1276 ND2 ASN A 84 3.708 3.189 -6.011 1.00 0.00 N ATOM 0 H ASN A 84 2.497 -1.377 -6.832 1.00 0.00 H new ATOM 0 HA ASN A 84 0.537 0.676 -6.302 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.749 0.639 -5.271 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.508 0.774 -6.844 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.725 4.202 -5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.580 2.660 -6.000 1.00 0.00 H new ATOM 1283 N GLY A 85 -0.088 1.396 -8.531 1.00 0.00 N ATOM 1284 CA GLY A 85 -0.563 1.711 -9.858 1.00 0.00 C ATOM 1285 C GLY A 85 -1.333 0.552 -10.461 1.00 0.00 C ATOM 1286 O GLY A 85 -1.422 0.419 -11.681 1.00 0.00 O ATOM 0 H GLY A 85 -0.773 1.551 -7.791 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.203 2.593 -9.817 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.283 1.960 -10.499 1.00 0.00 H new ATOM 1290 N LEU A 86 -1.892 -0.290 -9.598 1.00 0.00 N ATOM 1291 CA LEU A 86 -2.675 -1.438 -10.037 1.00 0.00 C ATOM 1292 C LEU A 86 -4.113 -1.000 -10.238 1.00 0.00 C ATOM 1293 O LEU A 86 -4.642 -0.227 -9.440 1.00 0.00 O ATOM 1294 CB LEU A 86 -2.625 -2.551 -8.974 1.00 0.00 C ATOM 1295 CG LEU A 86 -2.636 -4.006 -9.478 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -3.865 -4.307 -10.320 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -1.361 -4.317 -10.249 1.00 0.00 C ATOM 0 H LEU A 86 -1.816 -0.197 -8.585 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.264 -1.822 -10.970 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.725 -2.407 -8.376 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.476 -2.418 -8.306 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.679 -4.654 -8.602 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.832 -5.344 -10.655 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.763 -4.147 -9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.883 -3.646 -11.187 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.389 -5.350 -10.596 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.282 -3.648 -11.106 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.498 -4.176 -9.598 1.00 0.00 H new ATOM 1309 N ARG A 87 -4.736 -1.464 -11.306 1.00 0.00 N ATOM 1310 CA ARG A 87 -6.149 -1.217 -11.507 1.00 0.00 C ATOM 1311 C ARG A 87 -6.965 -2.168 -10.643 1.00 0.00 C ATOM 1312 O ARG A 87 -7.356 -3.251 -11.071 1.00 0.00 O ATOM 1313 CB ARG A 87 -6.520 -1.364 -12.981 1.00 0.00 C ATOM 1314 CG ARG A 87 -6.014 -0.219 -13.840 1.00 0.00 C ATOM 1315 CD ARG A 87 -6.726 1.081 -13.506 1.00 0.00 C ATOM 1316 NE ARG A 87 -6.263 2.193 -14.334 1.00 0.00 N ATOM 1317 CZ ARG A 87 -7.058 3.150 -14.814 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -8.367 3.110 -14.593 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -6.541 4.143 -15.525 1.00 0.00 N ATOM 0 H ARG A 87 -4.288 -2.010 -12.042 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.375 -0.193 -11.210 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.113 -2.302 -13.360 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.604 -1.427 -13.072 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.941 -0.097 -13.691 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.164 -0.458 -14.893 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.800 0.951 -13.643 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.566 1.321 -12.455 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.269 2.240 -14.559 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.770 2.344 -14.053 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.969 3.845 -14.963 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.537 4.174 -15.704 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.147 4.876 -15.893 1.00 0.00 H new ATOM 1333 N LEU A 88 -7.211 -1.735 -9.423 1.00 0.00 N ATOM 1334 CA LEU A 88 -7.980 -2.485 -8.451 1.00 0.00 C ATOM 1335 C LEU A 88 -9.431 -2.091 -8.569 1.00 0.00 C ATOM 1336 O LEU A 88 -9.816 -0.995 -8.176 1.00 0.00 O ATOM 1337 CB LEU A 88 -7.467 -2.162 -7.055 1.00 0.00 C ATOM 1338 CG LEU A 88 -8.015 -2.982 -5.886 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -8.327 -4.407 -6.288 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -7.006 -2.970 -4.750 1.00 0.00 C ATOM 0 H LEU A 88 -6.876 -0.837 -9.073 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.878 -3.555 -8.632 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.383 -2.273 -7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -7.678 -1.112 -6.855 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.951 -2.526 -5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -8.713 -4.952 -5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -9.074 -4.406 -7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.418 -4.891 -6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.392 -3.553 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.067 -3.405 -5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.834 -1.943 -4.427 1.00 0.00 H new ATOM 1352 N GLN A 89 -10.217 -2.981 -9.135 1.00 0.00 N ATOM 1353 CA GLN A 89 -11.623 -2.706 -9.418 1.00 0.00 C ATOM 1354 C GLN A 89 -11.739 -1.491 -10.321 1.00 0.00 C ATOM 1355 O GLN A 89 -12.644 -0.669 -10.169 1.00 0.00 O ATOM 1356 CB GLN A 89 -12.393 -2.465 -8.135 1.00 0.00 C ATOM 1357 CG GLN A 89 -12.132 -3.520 -7.084 1.00 0.00 C ATOM 1358 CD GLN A 89 -12.964 -3.332 -5.827 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.354 -2.100 -5.545 1.00 0.00 O flip ATOM 1360 NE2 GLN A 89 -13.271 -4.293 -5.125 1.00 0.00 N flip ATOM 0 H GLN A 89 -9.909 -3.913 -9.413 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.049 -3.575 -9.920 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.125 -1.487 -7.735 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.460 -2.437 -8.357 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.340 -4.503 -7.506 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.075 -3.505 -6.818 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.952 -5.229 -5.374 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.845 -4.154 -4.293 1.00 0.00 H new ATOM 1369 N SER A 90 -10.772 -1.380 -11.226 1.00 0.00 N ATOM 1370 CA SER A 90 -10.694 -0.284 -12.190 1.00 0.00 C ATOM 1371 C SER A 90 -10.163 1.002 -11.545 1.00 0.00 C ATOM 1372 O SER A 90 -10.015 2.030 -12.207 1.00 0.00 O ATOM 1373 CB SER A 90 -12.048 -0.060 -12.839 1.00 0.00 C ATOM 1374 OG SER A 90 -12.375 -1.115 -13.729 1.00 0.00 O ATOM 0 H SER A 90 -10.012 -2.055 -11.313 1.00 0.00 H new ATOM 0 HA SER A 90 -9.982 -0.565 -12.966 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.814 0.019 -12.068 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.042 0.886 -13.380 1.00 0.00 H new ATOM 0 HG SER A 90 -13.253 -0.944 -14.130 1.00 0.00 H new ATOM 1380 N LYS A 91 -9.851 0.919 -10.258 1.00 0.00 N ATOM 1381 CA LYS A 91 -9.301 2.044 -9.511 1.00 0.00 C ATOM 1382 C LYS A 91 -7.791 1.880 -9.362 1.00 0.00 C ATOM 1383 O LYS A 91 -7.324 0.816 -8.985 1.00 0.00 O ATOM 1384 CB LYS A 91 -9.932 2.097 -8.127 1.00 0.00 C ATOM 1385 CG LYS A 91 -10.471 3.447 -7.748 1.00 0.00 C ATOM 1386 CD LYS A 91 -9.352 4.455 -7.695 1.00 0.00 C ATOM 1387 CE LYS A 91 -9.650 5.506 -6.667 1.00 0.00 C ATOM 1388 NZ LYS A 91 -8.951 6.786 -6.956 1.00 0.00 N1+ ATOM 0 H LYS A 91 -9.972 0.072 -9.703 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.517 2.966 -10.051 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.742 1.369 -8.081 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.189 1.795 -7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.222 3.764 -8.472 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.966 3.390 -6.779 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.414 3.955 -7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.224 4.919 -8.673 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.725 5.681 -6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.351 5.145 -5.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.017 7.412 -6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.951 6.595 -7.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.396 7.247 -7.775 1.00 0.00 H new ATOM 1402 N THR A 92 -7.028 2.921 -9.641 1.00 0.00 N ATOM 1403 CA THR A 92 -5.578 2.815 -9.539 1.00 0.00 C ATOM 1404 C THR A 92 -5.109 3.226 -8.149 1.00 0.00 C ATOM 1405 O THR A 92 -5.398 4.327 -7.693 1.00 0.00 O ATOM 1406 CB THR A 92 -4.861 3.674 -10.590 1.00 0.00 C ATOM 1407 OG1 THR A 92 -5.757 3.979 -11.669 1.00 0.00 O ATOM 1408 CG2 THR A 92 -3.645 2.946 -11.140 1.00 0.00 C ATOM 0 H THR A 92 -7.376 3.834 -9.935 1.00 0.00 H new ATOM 0 HA THR A 92 -5.323 1.771 -9.722 1.00 0.00 H new ATOM 0 HB THR A 92 -4.535 4.597 -10.111 1.00 0.00 H new ATOM 0 HG1 THR A 92 -5.293 4.529 -12.334 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.151 3.572 -11.883 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.951 2.732 -10.327 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.960 2.011 -11.604 1.00 0.00 H new ATOM 1416 N ILE A 93 -4.388 2.330 -7.492 1.00 0.00 N ATOM 1417 CA ILE A 93 -4.002 2.509 -6.099 1.00 0.00 C ATOM 1418 C ILE A 93 -2.539 2.932 -5.946 1.00 0.00 C ATOM 1419 O ILE A 93 -1.752 2.813 -6.885 1.00 0.00 O ATOM 1420 CB ILE A 93 -4.222 1.199 -5.339 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -3.306 0.119 -5.913 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -5.682 0.781 -5.440 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -3.505 -1.234 -5.291 1.00 0.00 C ATOM 0 H ILE A 93 -4.054 1.460 -7.907 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.623 3.306 -5.691 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.980 1.340 -4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.476 0.044 -6.987 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.269 0.424 -5.775 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.832 -0.152 -4.897 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.313 1.557 -5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.948 0.638 -6.487 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.821 -1.949 -5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.306 -1.175 -4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.532 -1.561 -5.452 1.00 0.00 H new ATOM 1435 N LYS A 94 -2.184 3.416 -4.757 1.00 0.00 N ATOM 1436 CA LYS A 94 -0.807 3.802 -4.452 1.00 0.00 C ATOM 1437 C LYS A 94 -0.286 3.033 -3.253 1.00 0.00 C ATOM 1438 O LYS A 94 -0.613 3.356 -2.119 1.00 0.00 O ATOM 1439 CB LYS A 94 -0.686 5.297 -4.139 1.00 0.00 C ATOM 1440 CG LYS A 94 0.674 5.674 -3.555 1.00 0.00 C ATOM 1441 CD LYS A 94 0.574 6.843 -2.592 1.00 0.00 C ATOM 1442 CE LYS A 94 1.866 7.030 -1.807 1.00 0.00 C ATOM 1443 NZ LYS A 94 1.823 8.231 -0.930 1.00 0.00 N1+ ATOM 0 H LYS A 94 -2.836 3.551 -3.984 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.220 3.571 -5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.855 5.869 -5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.469 5.580 -3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.098 4.813 -3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.358 5.928 -4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.348 7.754 -3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.252 6.677 -1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.051 6.145 -1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.701 7.119 -2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.723 8.318 -0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.673 9.080 -1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.043 8.136 -0.249 1.00 0.00 H new ATOM 1457 N VAL A 95 0.531 2.034 -3.492 1.00 0.00 N ATOM 1458 CA VAL A 95 1.153 1.315 -2.399 1.00 0.00 C ATOM 1459 C VAL A 95 2.575 1.830 -2.192 1.00 0.00 C ATOM 1460 O VAL A 95 3.328 2.036 -3.147 1.00 0.00 O ATOM 1461 CB VAL A 95 1.128 -0.214 -2.619 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.297 -0.571 -3.834 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.524 -0.780 -2.722 1.00 0.00 C ATOM 0 H VAL A 95 0.780 1.701 -4.423 1.00 0.00 H new ATOM 0 HA VAL A 95 0.575 1.500 -1.494 1.00 0.00 H new ATOM 0 HB VAL A 95 0.658 -0.668 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.295 -1.653 -3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.725 -0.221 -3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.723 -0.097 -4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.469 -1.858 -2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.042 -0.319 -3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.069 -0.573 -1.801 1.00 0.00 H new ATOM 1473 N SER A 96 2.910 2.082 -0.947 1.00 0.00 N ATOM 1474 CA SER A 96 4.209 2.608 -0.566 1.00 0.00 C ATOM 1475 C SER A 96 4.447 2.289 0.901 1.00 0.00 C ATOM 1476 O SER A 96 3.501 2.015 1.626 1.00 0.00 O ATOM 1477 CB SER A 96 4.254 4.127 -0.793 1.00 0.00 C ATOM 1478 OG SER A 96 4.063 4.449 -2.162 1.00 0.00 O ATOM 0 H SER A 96 2.283 1.927 -0.158 1.00 0.00 H new ATOM 0 HA SER A 96 4.988 2.150 -1.176 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.483 4.610 -0.193 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.213 4.519 -0.455 1.00 0.00 H new ATOM 0 HG SER A 96 3.930 3.625 -2.676 1.00 0.00 H new ATOM 1484 N TYR A 97 5.700 2.290 1.331 1.00 0.00 N ATOM 1485 CA TYR A 97 6.013 2.064 2.740 1.00 0.00 C ATOM 1486 C TYR A 97 5.334 3.127 3.581 1.00 0.00 C ATOM 1487 O TYR A 97 5.660 4.310 3.466 1.00 0.00 O ATOM 1488 CB TYR A 97 7.521 2.127 2.996 1.00 0.00 C ATOM 1489 CG TYR A 97 8.381 1.467 1.942 1.00 0.00 C ATOM 1490 CD1 TYR A 97 8.376 0.089 1.757 1.00 0.00 C ATOM 1491 CD2 TYR A 97 9.221 2.234 1.147 1.00 0.00 C ATOM 1492 CE1 TYR A 97 9.190 -0.503 0.806 1.00 0.00 C ATOM 1493 CE2 TYR A 97 10.032 1.651 0.193 1.00 0.00 C ATOM 1494 CZ TYR A 97 10.015 0.285 0.027 1.00 0.00 C ATOM 1495 OH TYR A 97 10.828 -0.299 -0.918 1.00 0.00 O ATOM 0 H TYR A 97 6.512 2.443 0.733 1.00 0.00 H new ATOM 0 HA TYR A 97 5.655 1.070 3.009 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.816 3.173 3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.730 1.659 3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.729 -0.528 2.363 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.241 3.306 1.277 1.00 0.00 H new ATOM 0 HE1 TYR A 97 9.180 -1.575 0.674 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.676 2.264 -0.420 1.00 0.00 H new ATOM 0 HH TYR A 97 11.343 0.395 -1.380 1.00 0.00 H new ATOM 1505 N ALA A 98 4.380 2.716 4.403 1.00 0.00 N ATOM 1506 CA ALA A 98 3.706 3.648 5.285 1.00 0.00 C ATOM 1507 C ALA A 98 4.701 4.132 6.330 1.00 0.00 C ATOM 1508 O ALA A 98 5.016 3.404 7.270 1.00 0.00 O ATOM 1509 CB ALA A 98 2.481 3.008 5.931 1.00 0.00 C ATOM 0 H ALA A 98 4.059 1.750 4.475 1.00 0.00 H new ATOM 0 HA ALA A 98 3.344 4.501 4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.996 3.731 6.587 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.782 2.696 5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.789 2.139 6.513 1.00 0.00 H new